ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole

C8H12F3NOS — CID 156847035

IUPACethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC.COCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NOS.C2H6/c1-11-2-5-10-4(3-12-5)6(7,8)9;1-2/h3H,2H2,1H3;1-2H3
InChIKeyLEONPDNLLFORKO-UHFFFAOYSA-N
MW227.25 g/mol
LogP3.33
Rot. Bonds2

About ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole

ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 156847035) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID156847035
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC Nameethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC.COCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NOS.C2H6/c1-11-2-5-10-4(3-12-5)6(7,8)9;1-2/h3H,2H2,1H3;1-2H3
InChIKeyLEONPDNLLFORKO-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methyl-1,3-thiazol-2-yl)methanol
CID 17750909
4-(Chloromethyl)-2-(methoxymethyl)-1,3-thiazole
CID 15290890
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
CID 16322147
[2-(Trifluoromethyl)-1,3-thiazol-4-yl]methanol
CID 20079604
(4-(Trifluoromethyl)-1,3-thiazol-2-yl)methanol
CID 23560688
[2-(Difluoromethyl)-1,3-thiazol-4-yl]methanol
CID 89690005
(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
CID 9267875
(4-Methyl-1,3-thiazol-2-yl)methyl acetate
CID 60014994
2-(Difluoromethoxy)-4-methyl-1,3-thiazole
CID 20719786
O-ethyl [(S)-chloro-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]sulfanylmethanethioate
CID 22817069
Methyl 4-(difluoromethyl)thiazole-2-carboxylate
CID 23178460
Ethyl 4-(trifluoromethyl)thiazole-2-carboxylate
CID 23560697

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole (CID 156847035) is ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole is CC.COCc1nc(C(F)(F)F)cs1.
What is the InChIKey of ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is LEONPDNLLFORKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS.C2H6/c1-11-2-5-10-4(3-12-5)6(7,8)9;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole?
ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 227.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 156847035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).